SCHEMBL10133802

SCHEMBL10133802

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
HDAC6 Q9UBN7 10/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIA1 P42261 3/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
HDAC3 O15379 9/20 0.45
HDAC1 Q13547 9/20 0.45
HDAC2 Q92769 9/20 0.45
HDAC10 Q969S8 9/20 0.45
HDAC11 Q96DB2 9/20 0.45
HDAC8 Q9BY41 9/20 0.45
HDAC4 P56524 8/20 0.45
HDAC7 Q8WUI4 8/20 0.45
HDAC9 Q9UKV0 8/20 0.45
HDAC5 Q9UQL6 8/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10113721 0.88 ALDH1A1 (0.54) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10115197 0.88 ALDH1A1 (0.68) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10113688 0.87 HDAC3 (0.56) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10115264 0.87 HDAC6 (0.62) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10113680 0.87 ALDH1A1 (0.53) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10115351 0.87 LMNA (0.53) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10115275 0.87 ALDH1A1 (0.54) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10113729 0.87 HDAC6 (0.53) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10113711 0.87 ALDH1A1 (0.53) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10115297 0.86 HDAC6 (0.67) ALDH1A1LMNAHDAC6HDAC3HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885HDAC6 1602/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.